4,5-diphenyl-1-propan-2-ylpyrimidin-2-one

C19H18N2O — CID 12523541

IUPAC4,5-diphenyl-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C19H18N2O/c1-14(2)21-13-17(15-9-5-3-6-10-15)18(20-19(21)22)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyPMMRUCAORAFNDI-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.16
Rot. Bonds3

About 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one

4,5-diphenyl-1-propan-2-ylpyrimidin-2-one (PubChem CID 12523541) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4,5-diphenyl-1-propan-2-ylpyrimidin-2-one
PubChem CID12523541
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4,5-diphenyl-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C19H18N2O/c1-14(2)21-13-17(15-9-5-3-6-10-15)18(20-19(21)22)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyPMMRUCAORAFNDI-UHFFFAOYSA-N
XLogP4.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one (CID 12523541) is 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one is CC(C)n1cc(-c2ccccc2)c(-c2ccccc2)nc1=O.
What is the InChIKey of 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one?
The InChIKey is PMMRUCAORAFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(2)21-13-17(15-9-5-3-6-10-15)18(20-19(21)22)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one?
4,5-diphenyl-1-propan-2-ylpyrimidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 12523541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).